Mol:FL3FADCS0007
From Metabolomics.JP
<pre> Copyright: ARM project http://www.metabolome.jp/ 42 46 0 0 0 0 0 0 0 0999 V2000 -2.3138 -0.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3138 -1.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5993 -2.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8849 -1.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8849 -0.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5993 -0.5189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1704 -2.1688 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5441 -1.7563 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5441 -0.9314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1704 -0.5189 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1704 -2.8120 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0280 -0.5190 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3378 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0906 -0.9271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8435 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8435 0.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0906 0.8116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3378 0.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5960 0.8113 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3519 2.3545 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1296 1.7654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7997 0.9169 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7908 0.0981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 0.6932 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5875 1.4354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7207 2.9935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1296 2.4886 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1826 0.2536 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5993 -2.9935 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8015 -1.7440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3248 -2.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6383 -2.1063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9759 -2.0991 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4573 -1.6177 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0578 -1.9347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6235 -1.0795 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0679 -2.4094 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9985 -2.4757 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9557 -1.1347 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0679 -1.7770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0828 1.1440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4406 2.2562 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 5 6 1 0 0 0 0 6 1 2 0 0 0 0 4 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 5 1 0 0 0 0 7 11 2 0 0 0 0 1 12 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 13 1 0 0 0 0 13 9 1 0 0 0 0 16 19 1 0 0 0 0 20 21 1 1 0 0 0 21 22 1 1 0 0 0 23 22 1 1 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 25 20 1 0 0 0 0 20 26 1 0 0 0 0 21 27 1 0 0 0 0 22 28 1 0 0 0 0 6 23 1 0 0 0 0 3 29 1 0 0 0 0 30 31 1 1 0 0 0 31 32 1 1 0 0 0 33 32 1 1 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 30 1 0 0 0 0 30 36 1 0 0 0 0 31 37 1 0 0 0 0 32 38 1 0 0 0 0 33 2 1 0 0 0 0 39 40 1 0 0 0 0 15 39 1 0 0 0 0 41 42 1 0 0 0 0 25 41 1 0 0 0 0 M STY 1 1 SUP M SLB 1 1 1 M SAL 1 2 39 40 M SBL 1 1 44 M SMT 1 OCH3 M SBV 1 44 -1.1122 0.6422 M STY 1 2 SUP M SLB 1 2 2 M SAL 2 2 41 42 M SBL 2 1 46 M SMT 2 CH2OH M SBV 2 46 -0.5047 0.2914 S SKP 5 ID FL3FADCS0007 FORMULA C27H30O15 EXACTMASS 594.15847029 AVERAGEMASS 594.5181 SMILES C(C5O)OC(C(C5O)O)c(c1O)c(c(C(=O)4)c(OC(=C4)c(c3)cc(OC)c(O)c3)c1C(O2)C(C(C(O)C2CO)O)O)O M END
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